Glycoside
GD144968
Name:
7-[(7-hydroxy-2-oxo-2H-chromen-8-yl)oxy]-3-[(2-oxo-2H-chromen-7-yl)oxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C33H24O15Smiles:
O=c1ccc2ccc(Oc3cc4cc(OC5OC(CO)C(O)C(O)C5O)c(Oc5c(O)ccc6ccc(=O)oc56)cc4oc3=O)cc2o1Aglycone:
O=c1ccc2ccc(Oc3cc4cc(O)c(Oc5c(O)ccc6ccc(=O)oc56)cc4oc3=O)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.54 | Num_heavy_atoms: | 48 |
| TPSA: | 228.7 | NumAromaticRings: | 6 |
Unique Aglycone
AD58219
Formula: C27H14O10
Smiles:
O=c1ccc2ccc(Oc3cc4cc(O)c(Oc5c(O)ccc6ccc(=O)oc56)cc4oc3=O)cc2o1| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.4 | Num_heavy_atoms: | 37 |
| TPSA: | 149.55 | NumAromaticRings: | 6 |
